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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50013723   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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0.200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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0.200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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0.400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50098391
PNG
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r|
Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133856
PNG
(1-(2,6-Difluoro-benzyl)-5-{[methyl-(2-pyridin-2-yl...)
Show SMILES CN(CCc1ccccn1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C34H27F2N5O4S/c1-38(19-17-23-8-5-6-18-37-23)20-27-30-32(42)40(24-9-3-2-4-10-24)34(43)39(21-26-28(35)11-7-12-29(26)36)33(30)46-31(27)22-13-15-25(16-14-22)41(44)45/h2-16,18H,17,19-21H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122657
PNG
(CHEMBL21126 | N-{4-[5-[(Benzyl-methyl-amino)-methy...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H32F2N4O3S/c1-3-32(44)40-26-19-17-25(18-20-26)34-29(22-41(2)21-24-11-6-4-7-12-24)33-35(45)43(27-13-8-5-9-14-27)37(46)42(36(33)47-34)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H,40,44)
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50122674
PNG
(CHEMBL280213 | N-{4-[5-[(Benzyl-methyl-amino)-meth...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C38H34F2N4O3S/c1-24(2)35(45)41-27-19-17-26(18-20-27)34-30(22-42(3)21-25-11-6-4-7-12-25)33-36(46)44(28-13-8-5-9-14-28)38(47)43(37(33)48-34)23-29-31(39)15-10-16-32(29)40/h4-20,24H,21-23H2,1-3H3,(H,41,45)
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2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50098391
PNG
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r|
Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards rat Gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133849
PNG
(CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1
Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)
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4.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133839
PNG
(1-(2,6-Difluoro-benzyl)-5-[(methyl-pyridin-2-ylmet...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O)Cc1ccccn1
Show InChI InChI=1S/C33H25F2N5O4S/c1-37(18-22-8-5-6-17-36-22)19-26-29-31(41)39(23-9-3-2-4-10-23)33(42)38(20-25-27(34)11-7-12-28(25)35)32(29)45-30(26)21-13-15-24(16-14-21)40(43)44/h2-17H,18-20H2,1H3
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9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133843
PNG
(5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...)
Show SMILES CCNc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H32F2N4O2S/c1-3-39-26-19-17-25(18-20-26)33-29(22-40(2)21-24-11-6-4-7-12-24)32-34(43)42(27-13-8-5-9-14-27)36(44)41(35(32)45-33)23-28-30(37)15-10-16-31(28)38/h4-20,39H,3,21-23H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133844
PNG
(CHEMBL121441 | N-{4-[5-[(Benzyl-methyl-amino)-meth...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)C(F)(F)F)cc1)Cc1ccccc1
Show InChI InChI=1S/C36H27F5N4O3S/c1-43(19-22-9-4-2-5-10-22)20-27-30-32(46)45(25-11-6-3-7-12-25)35(48)44(21-26-28(37)13-8-14-29(26)38)33(30)49-31(27)23-15-17-24(18-16-23)42-34(47)36(39,40)41/h2-18H,19-21H2,1H3,(H,42,47)
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16n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133847
PNG
(5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...)
Show SMILES CC(C)CNc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C38H36F2N4O2S/c1-25(2)21-41-28-19-17-27(18-20-28)35-31(23-42(3)22-26-11-6-4-7-12-26)34-36(45)44(29-13-8-5-9-14-29)38(46)43(37(34)47-35)24-30-32(39)15-10-16-33(30)40/h4-20,25,41H,21-24H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133840
PNG
(1-(2,6-difluorobenzyl)-6-(4-aminophenyl)-5-((benzy...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(N)cc1)Cc1ccccc1
Show InChI InChI=1S/C34H28F2N4O2S/c1-38(19-22-9-4-2-5-10-22)20-27-30-32(41)40(25-11-6-3-7-12-25)34(42)39(21-26-28(35)13-8-14-29(26)36)33(30)43-31(27)23-15-17-24(37)18-16-23/h2-18H,19-21,37H2,1H3
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36n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133854
PNG
((S)-2-Amino-N-{4-[5-[(benzyl-methyl-amino)-methyl]...)
Show SMILES C[C@H](N)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-23(40)34(45)41-26-18-16-25(17-19-26)33-29(21-42(2)20-24-10-5-3-6-11-24)32-35(46)44(27-12-7-4-8-13-27)37(47)43(36(32)48-33)22-28-30(38)14-9-15-31(28)39/h3-19,23H,20-22,40H2,1-2H3,(H,41,45)/t23-/m0/s1
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43n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133842
PNG
((R)-2-Amino-4-methyl-pentanoic acid {4-[5-[(benzyl...)
Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C40H39F2N5O3S/c1-25(2)21-34(43)37(48)44-28-19-17-27(18-20-28)36-31(23-45(3)22-26-11-6-4-7-12-26)35-38(49)47(29-13-8-5-9-14-29)40(50)46(39(35)51-36)24-30-32(41)15-10-16-33(30)42/h4-20,25,34H,21-24,43H2,1-3H3,(H,44,48)/t34-/m0/s1
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58n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50067485
PNG
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)
Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
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60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards rat Gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133845
PNG
(5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)N(C)C)Cc1ccccc1
Show InChI InChI=1S/C36H32F2N4O2S/c1-39(2)26-19-17-25(18-20-26)33-29(22-40(3)21-24-11-6-4-7-12-24)32-34(43)42(27-13-8-5-9-14-27)36(44)41(35(32)45-33)23-28-30(37)15-10-16-31(28)38/h4-20H,21-23H2,1-3H3
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61n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133857
PNG
(5-{[(2-Diethylamino-ethyl)-methyl-amino]-methyl}-1...)
Show SMILES CCN(CC)CCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C33H33F2N5O4S/c1-4-37(5-2)19-18-36(3)20-26-29-31(41)39(23-10-7-6-8-11-23)33(42)38(21-25-27(34)12-9-13-28(25)35)32(29)45-30(26)22-14-16-24(17-15-22)40(43)44/h6-17H,4-5,18-21H2,1-3H3
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76n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133855
PNG
(5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...)
Show SMILES CC(C)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H34F2N4O2S/c1-24(2)40-27-19-17-26(18-20-27)34-30(22-41(3)21-25-11-6-4-7-12-25)33-35(44)43(28-13-8-5-9-14-28)37(45)42(36(33)46-34)23-29-31(38)15-10-16-32(29)39/h4-20,24,40H,21-23H2,1-3H3
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88n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133859
PNG
(2-Amino-N-{4-[5-[(benzyl-methyl-amino)-methyl]-1-(...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)CN)cc1)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O3S/c1-41(20-23-9-4-2-5-10-23)21-28-32-34(45)43(26-11-6-3-7-12-26)36(46)42(22-27-29(37)13-8-14-30(27)38)35(32)47-33(28)24-15-17-25(18-16-24)40-31(44)19-39/h2-18H,19-22,39H2,1H3,(H,40,44)
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150n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133848
PNG
(1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...)
Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3
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170n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133851
PNG
(1-(2,6-Difluoro-benzyl)-5-{[(2-methoxy-ethyl)-meth...)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H26F2N4O5S/c1-33(15-16-41-2)17-23-26-28(37)35(20-7-4-3-5-8-20)30(38)34(18-22-24(31)9-6-10-25(22)32)29(26)42-27(23)19-11-13-21(14-12-19)36(39)40/h3-14H,15-18H2,1-2H3
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170n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133841
PNG
(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)amino)met...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C34H26F2N4O4S/c1-37(19-22-9-4-2-5-10-22)20-27-30-32(41)39(24-11-6-3-7-12-24)34(42)38(21-26-28(35)13-8-14-29(26)36)33(30)45-31(27)23-15-17-25(18-16-23)40(43)44/h2-18H,19-21H2,1H3
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180n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133858
PNG
(5-[(Butyl-methyl-amino)-methyl]-1-(2,6-difluoro-be...)
Show SMILES CCCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H28F2N4O4S/c1-3-4-17-34(2)18-24-27-29(38)36(21-9-6-5-7-10-21)31(39)35(19-23-25(32)11-8-12-26(23)33)30(27)42-28(24)20-13-15-22(16-14-20)37(40)41/h5-16H,3-4,17-19H2,1-2H3
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270n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133850
PNG
(4-Amino-N-{4-[5-[(benzyl-methyl-amino)-methyl]-1-(...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)CCCN)cc1)Cc1ccccc1
Show InChI InChI=1S/C38H35F2N5O3S/c1-43(22-25-10-4-2-5-11-25)23-30-34-36(47)45(28-12-6-3-7-13-28)38(48)44(24-29-31(39)14-8-15-32(29)40)37(34)49-35(30)26-17-19-27(20-18-26)42-33(46)16-9-21-41/h2-8,10-15,17-20H,9,16,21-24,41H2,1H3,(H,42,46)
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300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133853
PNG
(3-Amino-N-{4-[5-[(benzyl-methyl-amino)-methyl]-1-(...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)CCN)cc1)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-42(21-24-9-4-2-5-10-24)22-29-33-35(46)44(27-11-6-3-7-12-27)37(47)43(23-28-30(38)13-8-14-31(28)39)36(33)48-34(29)25-15-17-26(18-16-25)41-32(45)19-20-40/h2-18H,19-23,40H2,1H3,(H,41,45)
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360n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133852
PNG
(1-(2,6-Difluoro-benzyl)-6-(4-nitro-phenyl)-3-pheny...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN1CCNCC1
Show InChI InChI=1S/C30H25F2N5O4S/c31-24-7-4-8-25(32)22(24)18-35-29-26(28(38)36(30(35)39)20-5-2-1-3-6-20)23(17-34-15-13-33-14-16-34)27(42-29)19-9-11-21(12-10-19)37(40)41/h1-12,33H,13-18H2
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460n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133846
PNG
(1-(2,6-Difluoro-benzyl)-5-dimethylaminomethyl-6-(4...)
Show SMILES CN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H22F2N4O4S/c1-31(2)15-21-24-26(35)33(18-7-4-3-5-8-18)28(36)32(16-20-22(29)9-6-10-23(20)30)27(24)39-25(21)17-11-13-19(14-12-17)34(37)38/h3-14H,15-16H2,1-2H3
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640n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair